N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide

C19H18N2O5 — CID 7578425

IUPACN-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C19H18N2O5/c1-3-4-15-11-17(21(24)25)9-10-18(15)26-12-19(23)20-16-7-5-14(6-8-16)13(2)22/h3,5-11H,1,4,12H2,2H3,(H,20,23)
InChIKeySHJDJXJBCZNZGS-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.54
Rot. Bonds8

About N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide

N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide (PubChem CID 7578425) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
PubChem CID7578425
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C19H18N2O5/c1-3-4-15-11-17(21(24)25)9-10-18(15)26-12-19(23)20-16-7-5-14(6-8-16)13(2)22/h3,5-11H,1,4,12H2,2H3,(H,20,23)
InChIKeySHJDJXJBCZNZGS-UHFFFAOYSA-N
XLogP3.54
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 7631754
N-(2-methoxy-5-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578310
N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7577886
N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578073
N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578589
N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide
CID 8959522
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8559480
methyl 4-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406620
4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide
CID 27972767
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
2-[2-(aminomethyl)-4-nitrophenoxy]-N-prop-2-enylacetamide
CID 60889968

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide (CID 7578425) is N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide is C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
The InChIKey is SHJDJXJBCZNZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-3-4-15-11-17(21(24)25)9-10-18(15)26-12-19(23)20-16-7-5-14(6-8-16)13(2)22/h3,5-11H,1,4,12H2,2H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide has a molecular weight of 354.36 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 7578425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).